3-Hydroxybenzaldehyde(100-83-4) MS
Product Name3-Hydroxybenzaldehyde
CAS100-83-4
Molecular FormulaC7H6O2
Molecular Weight122.12
InChIInChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChIKey IAVREABSGIHHMO-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC(O)=C1
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MassMS-NW-4790 m-hydroxybenzaldehyde C7H6O2 (Mass of molecular ion: 122)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.2 27.0 2.4 28.0 2.7 29.0 4.3 37.0 3.4 38.0 6.9 39.0 31.6 40.0 6.2 50.0 4.7 51.0 4.2 53.0 5.2 55.0 3.5 61.0 2.4 62.0 4.0 63.0 9.1 64.0 4.9 65.0 44.2 66.0 10.0 74.0 2.0 75.0 1.5 76.0 1.3 92.0 2.1 93.0 49.6 94.0 9.5 121.0 87.6 122.0 100.0 123.0 8.3
400 MHz in DMSO-d6
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 O2 0.034 g : 0.5 ml DMSO-d6 m-hydroxybenzaldehyde 
Assign. Shift(ppm)
A 10.0 B 9.938 C 7.434 D 7.382 E 7.279 F 7.131
Hz ppm Int.3999.94 10.009 70 3971.86 9.939 1000 2979.74 7.456 155 2972.26 7.438 371 2964.32 7.418 325 2954.56 7.393 225 2953.19 7.390 398 2951.81 7.386 285 2947.08 7.375 134 2945.56 7.371 213 2944.34 7.368 140 2911.38 7.285 267 2909.85 7.281 284 2908.78 7.279 308 2907.71 7.276 268 2907.26 7.275 267 2855.53 7.146 203 2854.31 7.143 221 2852.94 7.139 204 2851.72 7.136 201 2847.75 7.126 188 2846.37 7.123 192 2845.15 7.120 184 2843.78 7.116 176
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1H NMR 89.56 MHz C7 H6 O2 0.043 g : 0.5 ml CDCl3 m-hydroxybenzaldehyde Assign. Shift(ppm)
A 9.930 B 7.62 to 7.30 C 7.20 D 6.72
Hz ppm Int.889.31 9.930 1000 668.31 7.463 253 667.38 7.452 497 666.50 7.442 257 665.81 7.435 224 663.81 7.412 529 663.25 7.406 635 662.38 7.396 491 650.13 7.260 112 648.00 7.236 206 645.88 7.212 111 644.38 7.195 148 641.38 7.162 115 639.19 7.138 94 602.19 6.724 230
in CDCl3
KBr disc
nujol mull
